#!/bin/sh

if [ "${AMBERHOME}_" == "_" ] ; then
   echo 'You need to specify $AMBERHOME'
   exit 1
fi

${AMBERHOME}/bin/simplepbsa -p ../pbsa_dmp/prmtop -c ../pbsa_dmp/inpcrd \
    --fillratio=4 > output.pbsa_dmp
../dacdif output.pbsa_dmp.save output.pbsa_dmp
